Zobrazeno 1 - 10
of 76
pro vyhledávání: '"Frank M Boeckler"'
Autor:
Matthias Rupp, Matthias R Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M Boeckler, Gisbert Schneider
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 1, p e1003400 (2014)
Machine learning has been used for estimation of potential energy surfaces to speed up molecular dynamics simulations of small systems. We demonstrate that this approach is feasible for significantly larger, structurally complex molecules, taking the
Externí odkaz:
https://doaj.org/article/4ba74ec90e154de490c1802d33cbfe86
Autor:
Heba H. A. Hassan, Muhammad I. Ismail, Mohammed A. S. Abourehab, Frank M. Boeckler, Tamer M. Ibrahim, Reem K. Arafa
Publikováno v:
Molecules, Vol 28, Iss 3, p 1296 (2023)
Fascin is an actin-bundling protein overexpressed in various invasive metastatic carcinomas through promoting cell migration and invasion. Therefore, blocking Fascin binding sites is considered a vital target for antimetastatic drugs. This inspired u
Externí odkaz:
https://doaj.org/article/250b1a3853dd4315900044dce54e6223
Autor:
Thomas Majer, Keshab Bhattarai, Jan Straetener, Justus Pohlmann, Patrick Cahill, Markus O. Zimmermann, Marc P. Hübner, Marcel Kaiser, Johan Svenson, Michael Schindler, Heike Brötz-Oesterhelt, Frank M. Boeckler, Harald Gross
Publikováno v:
Marine Drugs, Vol 20, Iss 8, p 532 (2022)
Two new ircinianin-type sesterterpenoids, ircinianin lactone B and ircinianin lactone C (7 and 8), together with five known entities from the ircinianin compound family (1, 3–6) were isolated from the marine sponge Ircinia wistarii. Ircinianin lact
Externí odkaz:
https://doaj.org/article/81201b1953774ebdb89e3abda1c4df48
Publikováno v:
Drug Design, Development and Therapy. 17:1247-1274
Sebastian Vaas,1 Markus O Zimmermann,1 Theresa Klett,1 Frank M Boeckler1,2 1Department of Pharmacy and Biochemistry, Eberhard Karls Universität Tübingen, Laboratory for Molecular Design and Pharmaceutical Biophysics, Institute of Pharmaceutical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7330020e7cb8961b2f18325dd50dafe4
https://doi.org/10.2147/dddt.s406703
https://doi.org/10.2147/dddt.s406703
Publikováno v:
Frontiers in Chemistry, Vol 8 (2020)
The coronavirus disease 19 (COVID-19) is a rapidly growing pandemic caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Its papain-like protease (SARS-CoV-2 PLpro) is a crucial target to halt virus replication. SARS-CoV PLpro
Externí odkaz:
https://doaj.org/article/76eb038cfc314617842c78c32b022d99
Autor:
Jason Stahlecker, Theresa Klett, Martin Schwer, Simon Jaag, Marcel Dammann, Larissa N. Ernst, Michael B. Braun, Markus O. Zimmermann, Markus Kramer, Michael Lämmerhofer, Thilo Stehle, Murray Coles, Frank M. Boeckler
Publikováno v:
RSC Medicinal Chemistry. 13:1575-1586
The cellular tumor antigen p53 is a key component in cell cycle control. The mutation Y220C heavily destabilizes the protein thermally but yields a druggable crevice. We have screened the diversity-optimized halogen-enriched fragment library against
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fe1ce895785860ddf65c5fef40b006b
https://doi.org/10.1039/d2md00246a
https://doi.org/10.1039/d2md00246a
Autor:
Gross, Thomas Majer, Keshab Bhattarai, Jan Straetener, Justus Pohlmann, Patrick Cahill, Markus O. Zimmermann, Marc P. Hübner, Marcel Kaiser, Johan Svenson, Michael Schindler, Heike Brötz-Oesterhelt, Frank M. Boeckler, Harald
Publikováno v:
Marine Drugs; Volume 20; Issue 8; Pages: 532
Two new ircinianin-type sesterterpenoids, ircinianin lactone B and ircinianin lactone C (7 and 8), together with five known entities from the ircinianin compound family (1, 3–6) were isolated from the marine sponge Ircinia wistarii. Ircinianin lact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::7e130815cb18d83664ebb357826f5d1a
Publikováno v:
Frontiers in Chemistry, Vol 9 (2022)
Fragment-based drug discovery is one of the most utilized approaches for the identification of novel weakly binding ligands, by efficiently covering a wide chemical space with rather few compounds and by allowing more diverse binding modes to be foun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doajarticles::3c94c6b5ed0983573c49fb3f336738d9
https://www.frontiersin.org/articles/10.3389/fchem.2021.815567/full
https://www.frontiersin.org/articles/10.3389/fchem.2021.815567/full
Publikováno v:
Drug Design, Development and Therapy. 13:4247-4263
Introduction Survivin is a nodal protein involved in several cellular pathways. It is a member of the IAP family and an integral component of the chromosomal passenger complex, where it binds to borealin and INCENP through its dimerization interface.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f532a17fb30f1f8ce741a971097cef9d
https://doi.org/10.2147/dddt.s224561
https://doi.org/10.2147/dddt.s224561
Publikováno v:
Frontiers in chemistry. 9
Fragment-based drug discovery is one of the most utilized approaches for the identification of novel weakly binding ligands, by efficiently covering a wide chemical space with rather few compounds and by allowing more diverse binding modes to be foun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9b9d973a6304fc47b08db13541ecc4c1
https://pubmed.ncbi.nlm.nih.gov/35186897
https://pubmed.ncbi.nlm.nih.gov/35186897